2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine
Basic information
- CAS
21018-71-3- Standard SMILES
Cc1cc(C)n(-c2ccccn2)n1- InChIKey
DQJACDPPPOAZOZ-UHFFFAOYSA-N- Molecular formula
- C10H11N3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.09529736
Names & identifiers
- Preferred name
- 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine
- IUPAC
- 2-(3,5-dimethylpyrazol-1-yl)pyridine
- English name
- 2-(3,5-Dimethyl-1H-pyrazol-1-yl)pyridine
- Molecular formula
- C10H11N3
- Molecular weight
- 173.21
Names & synonyms
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine21018-71-3DTXSID80350338Cl-5800RefChem:84184DTXCID40301407818-785-0DQJACDPPPOAZOZ-UHFFFAOYSA-N2-(3,5-dimethylpyrazol-1-yl)pyridine3,5-Dimethyl-1-(pyridin-2-yl)-1H-pyrazolePyridine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-MFCD01552547
Show more names
1-(2-Pyridyl)-3,5-dimethylpyrazole; 2-(3,5-Dimethylpyrazol-1-yl)pyridine; 3,5-Dimethyl-1-(2-pyridyl)pyrazoleSCHEMBL3461571STL563322(3,5-dimethylpyrazol-1-yl) pyridineAKOS008956600CS-0021777EN300-31409G33996
Database identifiers
- CAS
21018-71-3- PubChem CID
- 676764
- DTXSID
DTXSID80350338- EC Number
- 818-785-0
- Nikkaji
- J1.063.244G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 245 °C · 245 °C (decomp)
- Boiling point
- 122 °C · 122 °C(Press: 3 Torr)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 2.84 · 2.84±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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